Solid-state Nuclear Magnetic Resonance and Computational Investigation of Half-integer Quadrupolar Nuclei

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ISBN 13 :
Total Pages : 276 pages
Book Rating : 4.:/5 (956 download)

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Book Synopsis Solid-state Nuclear Magnetic Resonance and Computational Investigation of Half-integer Quadrupolar Nuclei by : Roshanak Teymoori

Download or read book Solid-state Nuclear Magnetic Resonance and Computational Investigation of Half-integer Quadrupolar Nuclei written by Roshanak Teymoori and published by . This book was released on 2014 with total page 276 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thesis is concerned with applications of modern solid-state NMR spectroscopy. Investigations of three quadrupolar nuclei (51V, 17O, and 23Na) are undertaken to demonstrate the practicality of solid-state nuclear magnetic resonance, SSNMR in studies of compounds containing these nuclei. The goal of each project is to gain insight into the effect of the local environment on the NMR observables. Vanadium-51 solid-state NMR has been used to study oxo- and peroxo-vanadium compounds. The 51V nucleus is examined to determine the vanadium magnetic shielding, MS and electric field gradient, EFG tensors. Density functional theory, DFT, has been utilized to calculate MS and EFG tensors to corroborate experimental data and to provide insight into the relationship between molecular and electronic structure. In addition the hyperbolic secant, HS pulse sequence has been used to provide spectra from which information about the shielding anisotropy of [V(O)(ONMe2)2]2O could be gained. An investigation of oxygen-17 solid-state NMR studies of ligand, 17OP(p-Anis)3 and complex of InI3[17OP(p-Anis)3]2 powder samples has also been carried out. Coordination of oxygen to indium causes a change in the 17O chemical shift tensor. DFT calculations are also utilized and the theoretical results are compared with the corresponding experimental values. Finally, solid-state sodium-23 NMR investigations of series of sodium salts, (sodium nitroprusside dihydrate, sodium bromate, sodium chlorate, sodium nitrate, sodium nitrite, sodium selenite and anhydrous disodium hydrogen phosphate) were carried out to determine 23Na MS and EFG tensor parameters. The CASTEP and BAND codes were employed to calculate the EFG and MS tensors. In addition, in the case of sodium nitroprusside solid-state 17O and 15N NMR studies, as well as computational investigations of the corresponding EFG and MS tensors, were undertaken. This Thesis reported the first experimental demonstration of sodium CS tensors determined from solid-state NMR spectroscopy of powder samples of these sodium salts. It also demonstrated the use of first-principles calculations, based on DFT theory in the CASTEP and BAND codes, to investigate the 23Na EFG and MS tensors for these sodium salts.

Nuclear Magnetic Resonance Studies of Half-integer Quadrupolar Nuclei

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ISBN 13 :
Total Pages : 119 pages
Book Rating : 4.:/5 (661 download)

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Book Synopsis Nuclear Magnetic Resonance Studies of Half-integer Quadrupolar Nuclei by : Dinu Iuga

Download or read book Nuclear Magnetic Resonance Studies of Half-integer Quadrupolar Nuclei written by Dinu Iuga and published by . This book was released on 2003 with total page 119 pages. Available in PDF, EPUB and Kindle. Book excerpt:

NMR of Quadrupolar Nuclei in Solid Materials

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Publisher : John Wiley & Sons
ISBN 13 : 1118588843
Total Pages : 564 pages
Book Rating : 4.1/5 (185 download)

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Book Synopsis NMR of Quadrupolar Nuclei in Solid Materials by : Roderick E. Wasylishen

Download or read book NMR of Quadrupolar Nuclei in Solid Materials written by Roderick E. Wasylishen and published by John Wiley & Sons. This book was released on 2012-12-19 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: NMR OF QUADRUPOLAR NUCLEI IN SOLID MATERIALS Over the past 20 years technical developments in superconducting magnet technology and instrumentation have increased the potential of NMR spectroscopy so that it is now possible to study a wide range of solid materials. In addition, one can probe the nuclear environments of many other additional atoms that possess the property of spin. In particular, it is possible to carry out NMR experiments on isotopes that have nuclear spin greater that 1⁄2 (i.e. quadrupolar nuclei). Since more that two-thirds of all NMR active isotopes are quadrupolar nuclei, applications of NMR spectroscopy with quadrupolar nuclei are increasing rapidly. The purpose of this handbook is to provide under a single cover the fundamental principles, techniques and applications of quadrupolar NMR as it pertains to solid materials. Each chapter has been prepared by an expert who has made significant contributions to out understanding and appreciation of the importance of NMR studies of quadrupolar nuclei in solids. The text is divided into three sections: The first provides the reader with the background necessary to appreciate the challenges in acquiring and interpreting NMR spectra of quadrupolar neclei in solids. The second presents cutting-edge techniques and methodology for employing these techniques to investigate quadrupolar nuclei in solids. The final section explores applications of solid-state NMR studies of solids ranging from investigations of dynamics, characterizations of biological samples, organic and inorganic materials, porous materials, glasses, catalysts, semiconductors and high-temperature superconductors. About EMR Handbooks The Encyclopedia of Magnetic Resonance (EMR) publishes a wide range of online articles on all aspects of magnetic resonance in physics, chemistry, biology and medicine. The existence-of this large number of articles, written by experts in various fields, is enabling the publication of a series of EMR Handbooks on specific areas of NMR and MRI. The chapters of each of these handbooks will comprise a carefully chosen selection of Encyclopedia articles. In consultation with the EMR Editorial Board, the EMR Handbooks are coherently planned in advance by specially-selected Editors, and new articles, are written (together with updates of some already existing articles) to give appropriate complete coverage. The handbooks are intended to be of value and interest to research students, postdoctoral fellows and other researchers learning about the scientific area in question and undertaking relevant experiments, whether in academia or industry. Have the content of this handbook and the complete content of the Encyclopedia of Magnetic Resonance at your fingertips! Visit: www.wileyonlinelibrary.com/ref/emr

Solid-state Nuclear Magnetic Resonance and Computational Investigations of Exotic Nuclei

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ISBN 13 :
Total Pages : 436 pages
Book Rating : 4.:/5 (166 download)

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Book Synopsis Solid-state Nuclear Magnetic Resonance and Computational Investigations of Exotic Nuclei by : Michelle Ambrosa Marie Forgeron

Download or read book Solid-state Nuclear Magnetic Resonance and Computational Investigations of Exotic Nuclei written by Michelle Ambrosa Marie Forgeron and published by . This book was released on 2006 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Annual Reports on NMR Spectroscopy

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Publisher : Academic Press
ISBN 13 : 0128209739
Total Pages : 378 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis Annual Reports on NMR Spectroscopy by :

Download or read book Annual Reports on NMR Spectroscopy written by and published by Academic Press. This book was released on 2020-04-29 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annual Reports on NMR Spectroscopy, Volume 100, is a premier resource for both specialists and non-specialists who are looking to become familiar with new techniques and applications in NMR spectroscopy. Chapters in this new release cover In Operando NMR Studies, Recent Developments in Automotive Differential Analysis of NMR Results, Applications of SIMPSON to NMR Studies of Peptides and Proteins, Recent Developments in NMR Line Shape Analysis, and more. Serves as the premier resource for learning the new techniques and applications of NMR spectroscopy Provides a key reference for chemists and physicists using NMR spectroscopy to study the structure and dynamics of molecules Covers all aspects of molecular science, including MRI (Magnetic Resonance Imaging)

Annual Reports on NMR Spectroscopy

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Publisher : Academic Press
ISBN 13 : 0123970180
Total Pages : 207 pages
Book Rating : 4.1/5 (239 download)

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Book Synopsis Annual Reports on NMR Spectroscopy by : Graham A. Webb

Download or read book Annual Reports on NMR Spectroscopy written by Graham A. Webb and published by Academic Press. This book was released on 2012-03-26 with total page 207 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nuclear magnetic resonance (NMR) is an analytical tool used by chemists and physicists to study the structure and dynamics of molecules. In recent years, no other technique has gained such significance as NMR spectroscopy. It is used in all branches of science in which precise structural determination is required and in which the nature of interactions and reactions in solution is being studied. Annual Reports on NMR Spectroscopy has established itself as a premier means for the specialist and non-specialist alike to become familiar with new techniques and applications of NMR spectroscopy. Annual Reports on NMR Spectroscopy has established itself as a premier means for the specialist and non-specialist alike to become familiar with new techniques and applications of NMR spectroscopy

Further Development in Solid-state NMR of Half-integer Quadrupolar Nuclei

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ISBN 13 :
Total Pages : 262 pages
Book Rating : 4.:/5 (949 download)

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Book Synopsis Further Development in Solid-state NMR of Half-integer Quadrupolar Nuclei by : Akiko Sasaki

Download or read book Further Development in Solid-state NMR of Half-integer Quadrupolar Nuclei written by Akiko Sasaki and published by . This book was released on 2016 with total page 262 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Solid-state Nuclear Magnetic Resonance Studies of Cross Polarization from Quadrupolar Nuclei

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ISBN 13 :
Total Pages : 472 pages
Book Rating : 4.:/5 (26 download)

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Book Synopsis Solid-state Nuclear Magnetic Resonance Studies of Cross Polarization from Quadrupolar Nuclei by : Susan Margaret De Paul

Download or read book Solid-state Nuclear Magnetic Resonance Studies of Cross Polarization from Quadrupolar Nuclei written by Susan Margaret De Paul and published by . This book was released on 1997 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Quantitative NMR Spin-counting of Half-integer Quadrupoles in Solid Materials

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ISBN 13 :
Total Pages : 234 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Quantitative NMR Spin-counting of Half-integer Quadrupoles in Solid Materials by : Kathryn Jane Hughes

Download or read book Quantitative NMR Spin-counting of Half-integer Quadrupoles in Solid Materials written by Kathryn Jane Hughes and published by . This book was released on 2005 with total page 234 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Nuclear Magnetic Resonance

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Publisher : Royal Society of Chemistry
ISBN 13 : 1849733732
Total Pages : 499 pages
Book Rating : 4.8/5 (497 download)

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Book Synopsis Nuclear Magnetic Resonance by : Krystyna Kamienska-Trela

Download or read book Nuclear Magnetic Resonance written by Krystyna Kamienska-Trela and published by Royal Society of Chemistry. This book was released on 2012 with total page 499 pages. Available in PDF, EPUB and Kindle. Book excerpt: As a spectroscopic method, nuclear magnetic resonance (NMR) has seen spectacular growth, both as a technique and in its applications. Today's applications of NMR span a wide range of scientific disciplines, from physics to biology to medicine. Each volume of Nuclear Magnetic Resonance comprises a combination of annual and biennial reports which together provide comprehensive coverage of the literature on this topic. This Specialist Periodical Report reflects the growing volume of published work involving NMR techniques and applications, in particular NMR of natural macromolecules, which is covered in two reports: NMR of Proteins and Nucleic Acids and NMR of Carbohydrates, Lipids and Membranes. In his foreword to the first volume, the then editor, Professor Robin Harris announced that the series would be a discussion on the phenomena of NMR and that articles will be critical surveys of the literature. This has certainly remained the case throughout the series, and in line with its predecessors, Volume 40 aims to provide a comprehensive coverage of the relevant NMR literature. For the current volume this relates to publications appearing between June 2009 and May 2010 (the nominal period of coverage in volume 1 was July 1970 to June 1971). Compared to the previous volume there are some new members of the reporting team. Theoretical Aspects of Spin-Spin Couplings are covered by J. Jazwinski, while E. Swiezewska and J.W̤jcik provide an account of NMR of Carbohydrates, Lipids and Membranes.

Solid-state Nuclear Magnetic Resonance Studies of Quadrupolar Nuclei in Inorganic Systems

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ISBN 13 :
Total Pages : 406 pages
Book Rating : 4.:/5 (178 download)

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Book Synopsis Solid-state Nuclear Magnetic Resonance Studies of Quadrupolar Nuclei in Inorganic Systems by : Hye Kyung Cho Timken

Download or read book Solid-state Nuclear Magnetic Resonance Studies of Quadrupolar Nuclei in Inorganic Systems written by Hye Kyung Cho Timken and published by . This book was released on 1987 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt:

NMR Spectroscopy of Biological Solids

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Publisher : CRC Press
ISBN 13 : 1420027611
Total Pages : 368 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis NMR Spectroscopy of Biological Solids by : A. Ramamoorthy

Download or read book NMR Spectroscopy of Biological Solids written by A. Ramamoorthy and published by CRC Press. This book was released on 2005-09-22 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Over the past decade, a myriad of techniques have shown that solid-state nuclear magnetic resonance (NMR) can be used in a broad spectrum of applications with exceptionally impressive results. Solid-state NMR results can yield high-resolution details on the structure and function of many important biological solids, including viruses, fibril-formin

Homonuclear Correlation in Solid-state NMR

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ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (921 download)

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Book Synopsis Homonuclear Correlation in Solid-state NMR by : Nathan Simon Barrow

Download or read book Homonuclear Correlation in Solid-state NMR written by Nathan Simon Barrow and published by . This book was released on 2009 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Solid-State Nuclear Magnetic Resonance of Exotic Quadrupolar Nuclei as a Direct Probe of Molecular Structure in Organic Ionic Solids

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ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (97 download)

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Book Synopsis Solid-State Nuclear Magnetic Resonance of Exotic Quadrupolar Nuclei as a Direct Probe of Molecular Structure in Organic Ionic Solids by : Kevin Burgess

Download or read book Solid-State Nuclear Magnetic Resonance of Exotic Quadrupolar Nuclei as a Direct Probe of Molecular Structure in Organic Ionic Solids written by Kevin Burgess and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: In the past decade, the field of NMR spectroscopy has seen the emergence of ever more powerful superconducting magnets, which has opened the door for the observation of many traditionally challenging or non-receptive nuclei. In this dissertation, a variety of ionic solids with organic coordination environments are investigated using quadrupolar solid-state NMR experiments with an ultrahigh-field magnet (21.1 T). Two general research directions are presented including a 79/81Br solid-state NMR study of a series of 6 triphenylphosphonium bromides for which single-crystal X-ray structures are reported herein. A second research direction is also presented wherein alkaline-earth metal (25Mg, 43Ca, and 87Sr) solid-state NMR is used to characterize a systematic series of 16 aryl and alkyl carboxylates. In both studies, the quadrupolar nuclei studied are deemed zexoticy due to their unreceptive nature to NMR spectroscopic analysis including low natural abundances, large quadrupole moments, or low resonance frequencies. A variety of coordination modes to alkaline-earth metals, including N-atom coordination, are characterized herein for the first time using alkaline-earth metal solid-state NMR. In all cases, the electric field gradient (EFG) and chemical shift (CS) tensors are characterized and correlated to structural features such as interatomic distances measured from the crystal structure of the compound under study. In all of the projects undertaken herein, the gauge-including projector-augmented-wave density functional theory (GIPAW DFT) method is used, which allows for the prediction and rationalization of the experimental EFG and CS tensor parameters based on the input crystal structure. In the case of 43Ca solid-state NMR experiments reported in this dissertation, a linear correlation between the calculated and experimental 43Ca quadrupolar coupling constants, CQ, is used as a calibration curve for GIPAW DFT calculations performed on the 18 structural models currently available for the vaterite polymorph of CaCO3. Vaterite cannot be fully characterized by X-ray diffraction alone; therefore an NMR crystallography protocol is used in order to identify the model that best accounts for 43Ca solid-state NMR experiments performed on vaterite. It is expected that the conclusions from this dissertation can be used for future studies involving structural refinement and elucidation of solid materials containing challenging quadrupolar nuclei.

Modern Magnetic Resonance

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Publisher : Springer Science & Business Media
ISBN 13 : 1402039107
Total Pages : 1889 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Modern Magnetic Resonance by : Graham A. Webb

Download or read book Modern Magnetic Resonance written by Graham A. Webb and published by Springer Science & Business Media. This book was released on 2007-05-26 with total page 1889 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive collection of the applications of Nuclear Magnetic Resonance (NMR), Magnetic Resonance Imaging (MRI) and Electron-Spin Resonance (ESR). Covers the wide ranging disciplines in which these techniques are used: * Chemistry; * Biological Sciences; * Pharmaceutical Sciences; * Medical uses; * Marine Science; * Materials Science; * Food Science. Illustrates many techniques through the applications described, e.g.: * High resolution solid and liquid state NMR; * Low resolution NMR, especially important in food science; * Solution State NMR, especially important in pharmaceutical sciences; * Magnetic Resonance Imaging, especially important for medical uses; * Electron Spin Resonance, especially important for spin-labelling in food, marine and medical studies.

Solid State Nuclear Magnetic Resonance Studies of Cross Polarization from Quadrupolar Nuclei

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ISBN 13 :
Total Pages : 236 pages
Book Rating : 4.:/5 (683 download)

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Book Synopsis Solid State Nuclear Magnetic Resonance Studies of Cross Polarization from Quadrupolar Nuclei by :

Download or read book Solid State Nuclear Magnetic Resonance Studies of Cross Polarization from Quadrupolar Nuclei written by and published by . This book was released on 1997 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Solid-state Nuclear Magnetic Resonance Spectroscopic Studies of Quadrupolar Nuclei in Inorganic Systems and Determination of Optical Parameters in Optical Waveguides

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ISBN 13 :
Total Pages : 254 pages
Book Rating : 4.:/5 (211 download)

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Book Synopsis Solid-state Nuclear Magnetic Resonance Spectroscopic Studies of Quadrupolar Nuclei in Inorganic Systems and Determination of Optical Parameters in Optical Waveguides by : Oc Hee Han

Download or read book Solid-state Nuclear Magnetic Resonance Spectroscopic Studies of Quadrupolar Nuclei in Inorganic Systems and Determination of Optical Parameters in Optical Waveguides written by Oc Hee Han and published by . This book was released on 1989 with total page 254 pages. Available in PDF, EPUB and Kindle. Book excerpt: The general purpose of my research in this thesis is to apply solid state NMR of quadrupole nuclei to characterize and probe the chemical, structural, physical and electronic properties of materials, such as group III-V semiconductors, AlCl$sb3cdot$THF complexes, graphite intercalated with AlCl$sb3$ (and related systems), and the copper-free high T$sb{rm c}$ superconductor (Ba$sb{0.6}$K$sb{0.4}$BiO$sb3$), and related systems. Overall, I have tried to use solid-state NMR to give new information about structure in a variet of interesting and important conducting compounds, especially: semiconductors, superconductors, and metallic intercalation compounds (together with additional studies on appropriate "model" compounds).